CID 138395063

Dtxsid80897253

Structural Information

Molecular Formula
C9H9F9O5
SMILES
C([C@H]1[C@@H]([C@]([C@H](O1)O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O)O)O
InChI
InChI=1S/C9H9F9O5/c10-6(11,7(12,13)8(14,15)9(16,17)18)5(22)3(20)2(1-19)23-4(5)21/h2-4,19-22H,1H2/t2-,3-,4-,5-/m0/s1
InChIKey
TUQKZNYBICDFSC-FCAWWPLPSA-N
Compound name
(2S,3S,4S,5S)-5-(hydroxymethyl)-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane-2,3,4-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

368.03064 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.03792 164.4
[M+Na]+ 391.01986 172.8
[M-H]- 367.02336 152.8
[M+NH4]+ 386.06446 176.2
[M+K]+ 406.99380 170.7
[M+H-H2O]+ 351.02790 156.2
[M+HCOO]- 413.02884 165.1
[M+CH3COO]- 427.04449 203.4
[M+Na-2H]- 389.00531 167.9
[M]+ 368.03009 149.9
[M]- 368.03119 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.